2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen

C49H50BrN17O4S4 — CID 158723641

About 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen

2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen (PubChem CID 158723641) has the molecular formula C49H50BrN17O4S4 and a molecular weight of 1149.23 g/mol. Its IUPAC name is 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen
• PubChem CID: 158723641
• Molecular Formula: C49H50BrN17O4S4
• Molecular Weight: 1149.23 g/mol
• Exact Mass: 1147.23
• IUPAC Name: 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen
• SMILES: Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nnc(C)s2)cc1.Cc1nnc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1.[H][H]
• InChI: InChI=1S/C17H16N4O2S.C16H15N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.H2/c1-12-19-20-17(24-12)21(15-5-3-4-10-18-15)11-13-6-8-14(9-7-13)16(22)23-2;1-11-18-19-16(24-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)20-23;1-6-11-12-8(13-6)10-7-4-2-3-5-9-7;6-5-3-1-2-4-7-5;1-2-5-6-3(4)7-2;/h3-10H,11H2,1-2H3;2-9,23H,10H2,1H3,(H,20,22);2-5H,1H3,(H,9,10,12);1-4H;1H3,(H2,4,6);1H
• InChIKey: IKFLVGTUNIIBJV-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.23
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen?

The IUPAC name of 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen (CID 158723641) is 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen.

What is the SMILES notation for 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen?

The canonical SMILES for 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen is Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nnc(C)s2)cc1.Cc1nnc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccccn2)s1.[H][H].

What is the InChIKey of 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen?

The InChIKey is IKFLVGTUNIIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S.C16H15N5O2S.C8H8N4S.C5H4BrN.C3H5N3S.H2/c1-12-19-20-17(24-12)21(15-5-3-4-10-18-15)11-13-6-8-14(9-7-13)16(22)23-2;1-11-18-19-16(24-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)20-23;1-6-11-12-8(13-6)10-7-4-2-3-5-9-7;6-5-3-1-2-4-7-5;1-2-5-6-3(4)7-2;/h3-10H,11H2,1-2H3;2-9,23H,10H2,1H3,(H,20,22);2-5H,1H3,(H,9,10,12);1-4H;1H3,(H2,4,6);1H.

What are the key properties of 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen?

2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen has a molecular weight of 1149.23 g/mol, XLogP of 10.57, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 158723641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).